TL;DR: 2-[3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolecarboxylic acid 2-(2-chloroacetyl)hydrazide (CAS 1015856-33-3) is a chemical compound with molecular formula C17H13ClF3N5O3S and molecular weight 459.03796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(2-chloroacetyl)-2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
Also Known As: 2-[3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolecarboxylic acid 2-(2-chloroacetyl)hydrazide, N'-(2-chloroacetyl)-2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide, N'-(chloroacetyl)-2-[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
| Molecular Formula | C17H13ClF3N5O3S |
| Molecular Weight | 459.03796 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.03796 Da |
| Heavy Atoms | 30 |
| Complexity | 624.0 |
| SMILES | COC1=CC=C(C=C1)C2=NN(C(=C2)C(F)(F)F)C3=NC(=CS3)C(=O)NNC(=O)CCl |
| InChIKey | OIBDBVJARHRZPJ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-[3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolecarboxylic acid 2-(2-chloroacetyl)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolecarboxylic acid 2-(2-chloroacetyl)hydrazide. Following Lipinski's Rule of Five, 2-[3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolecarboxylic acid 2-(2-chloroacetyl)hydrazide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolecarboxylic acid 2-(2-chloroacetyl)hydrazide is 1015856-33-3.
The molecular formula of 2-[3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolecarboxylic acid 2-(2-chloroacetyl)hydrazide is C17H13ClF3N5O3S.
The molecular weight of 2-[3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolecarboxylic acid 2-(2-chloroacetyl)hydrazide is 459.03796 g/mol.
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